2-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-(2-thienylmethylsulfanyl)acetyl]amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[[2-(2-thenylthio)acetyl]amino]phenyl]sulfonylamino]acetic acid Formula: C15H16N2O5S3 MolecularWeight: 400.49294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C15H16N2O5S3/c18-14(10-23-9-12-2-1-7-24-12)17-11-3-5-13(6-4-11)25(21,22)16-8-15(19)20/h1-7,16H,8-10H2,(H,17,18)(H,19,20)